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Home > Pyridines > 1187167-85-6
1187167-85-6 | 3-(3,4-Dimethylbenzoyl)-4-methylpyridine
CAS No: 1187167-85-6 Catalog No: AG01FBUU MDL No:
Product Description
Catalog Number:
AG01FBUU
Chemical Name:
3-(3,4-Dimethylbenzoyl)-4-methylpyridine
CAS Number:
1187167-85-6
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
IUPAC Name:
(3,4-dimethylphenyl)-(4-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C15H15NO/c1-10-4-5-13(8-12(10)3)15(17)14-9-16-7-6-11(14)2/h4-9H,1-3H3
InChI Key:
OZPVMBUZNHEEQT-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1C)C(=O)c1cnccc1C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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